N,1-dibutyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)-6-propanoylindole-3-carboxamide

C27H41N3O3 — CID 14625866

IUPACN,1-dibutyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)-6-propanoylindole-3-carboxamide
SMILESCCCCNC(=O)c1c(C)n(CCCC)c2cc(C(=O)CC)c(O)c(CN3CCCCC3)c12
InChIInChI=1S/C27H41N3O3/c1-5-8-13-28-27(33)24-19(4)30(16-9-6-2)22-17-20(23(31)7-3)26(32)21(25(22)24)18-29-14-11-10-12-15-29/h17,32H,5-16,18H2,1-4H3,(H,28,33)
InChIKeyLPSDKJIIEAAPFR-UHFFFAOYSA-N
MW455.64 g/mol
LogP5.56
Rot. Bonds11

About N,1-dibutyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)-6-propanoylindole-3-carboxamide

N,1-dibutyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)-6-propanoylindole-3-carboxamide (PubChem CID 14625866) has the molecular formula C27H41N3O3 and a molecular weight of 455.64 g/mol. Its IUPAC name is N,1-dibutyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)-6-propanoylindole-3-carboxamide.

Molecular Properties

Compound NameN,1-dibutyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)-6-propanoylindole-3-carboxamide
PubChem CID14625866
Molecular FormulaC27H41N3O3
Molecular Weight455.64 g/mol
Exact Mass455.31
IUPAC NameN,1-dibutyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)-6-propanoylindole-3-carboxamide
SMILESCCCCNC(=O)c1c(C)n(CCCC)c2cc(C(=O)CC)c(O)c(CN3CCCCC3)c12
InChIInChI=1S/C27H41N3O3/c1-5-8-13-28-27(33)24-19(4)30(16-9-6-2)22-17-20(23(31)7-3)26(32)21(25(22)24)18-29-14-11-10-12-15-29/h17,32H,5-16,18H2,1-4H3,(H,28,33)
InChIKeyLPSDKJIIEAAPFR-UHFFFAOYSA-N
XLogP5.56
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.64
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,1-dibutyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)-6-propanoylindole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxy-2-methyl-1-phenyl-N-(2-phenylethyl)-4-(piperidin-1-ylmethyl)-6-propanoylindole-3-carboxamide;hydrochloride
CID 19844547
1-benzyl-5-hydroxy-2-methyl-N-octyl-4-(piperidin-1-ylmethyl)indole-3-carboxamide
CID 19844544
1-hexyl-5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ylmethyl)indole-3-carboxamide
CID 14625881
N,N-dibutyl-1-hexyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)indole-3-carboxamide
CID 14625842
1-hexyl-5-hydroxy-N,2-dimethyl-N-octyl-4-(piperidin-1-ylmethyl)indole-3-carboxamide
CID 19844554
N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide
CID 170276492
1-butyl-N-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587747
1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 125144865
N-[2-(azepan-1-yl)ethyl]-2-bromo-5-methylbenzamide
CID 80979640
1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide
CID 54683762
1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82217385
N-[3-(azepan-1-yl)propyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 30942271

Frequently Asked Questions

What is the IUPAC name of N,1-dibutyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)-6-propanoylindole-3-carboxamide?
The IUPAC name of N,1-dibutyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)-6-propanoylindole-3-carboxamide (CID 14625866) is N,1-dibutyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)-6-propanoylindole-3-carboxamide.
What is the SMILES notation for N,1-dibutyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)-6-propanoylindole-3-carboxamide?
The canonical SMILES for N,1-dibutyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)-6-propanoylindole-3-carboxamide is CCCCNC(=O)c1c(C)n(CCCC)c2cc(C(=O)CC)c(O)c(CN3CCCCC3)c12.
What is the InChIKey of N,1-dibutyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)-6-propanoylindole-3-carboxamide?
The InChIKey is LPSDKJIIEAAPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O3/c1-5-8-13-28-27(33)24-19(4)30(16-9-6-2)22-17-20(23(31)7-3)26(32)21(25(22)24)18-29-14-11-10-12-15-29/h17,32H,5-16,18H2,1-4H3,(H,28,33).
What are the key properties of N,1-dibutyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)-6-propanoylindole-3-carboxamide?
N,1-dibutyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)-6-propanoylindole-3-carboxamide has a molecular weight of 455.64 g/mol, XLogP of 5.56, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibutyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)-6-propanoylindole-3-carboxamide is sourced from PubChem (CID 14625866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).